| SpectraBase Compound ID | 4AcqRLcJCsT |
|---|---|
| InChI | InChI=1S/C11H14O3/c1-4-13-11(12)14-10-6-8(2)5-9(3)7-10/h5-7H,4H2,1-3H3 |
| InChIKey | WEUBQPZGDAHPLO-UHFFFAOYSA-N |
| Mol Weight | 194.23 g/mol |
| Molecular Formula | C11H14O3 |
| Exact Mass | 194.094294 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Kw3g6uLyQDG |
|---|---|
| Name | Carbonic acid, ethyl 3,5-xylyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.094294308 u |
| Formula | C11H14O3 |
| InChI | InChI=1S/C11H14O3/c1-4-13-11(12)14-10-6-8(2)5-9(3)7-10/h5-7H,4H2,1-3H3 |
| InChIKey | WEUBQPZGDAHPLO-UHFFFAOYSA-N |
| Molecular Weight | 194.230 g/mol |
| SMILES | C=1C(=CC(=CC1C)C)OC(OCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.745356 |